Information card for entry 2211678

Structure parameters

• Chemical name: Di-μ-chloro-bis({3-[(2-hydroxy-1-methyl-2-phenylethyl)iminomethyl]- 2-naphtholato-κ^3^N,O,O'}copper(II)) methanol solvate
• Formula: C41 H40 Cl2 Cu2 N2 O5
• Calculated formula: C41 H40 Cl2 Cu2 N2 O5
• SMILES: [Cu]123([N](=Cc4c(O2)ccc2ccccc42)[C@@H](C)[C@H]([OH]3)c2ccccc2)[Cl][Cu]23(Oc4c(C=[N]2[C@H](C)[C@@H]([OH]3)c2ccccc2)c2c(cc4)cccc2)[Cl]1.OC
• Title of publication: Di-μ-chloro-bis({3-[(2-hydroxy-1-methyl-2-phenylethyl)iminomethyl]-2-naphtholato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>'}copper(II)) methanol solvate
• Authors of publication: Shu-An Li; Yi-Cui Jin; Tong-Tao Xu; Da-Qi Wang; Jian Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3496 - m3497
• a: 15.252 ± 0.005 Å
• b: 8.884 ± 0.003 Å
• c: 28.866 ± 0.01 Å
• α: 90°
• β: 103.41 ± 0.006°
• γ: 90°
• Cell volume: 3805 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes